N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide

C13H15F3N2O2S — CID 25162796

IUPACN-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC(C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C13H15F3N2O2S/c14-13(15,16)9-3-1-5-18(8-9)11(19)7-17-12(20)10-4-2-6-21-10/h2,4,6,9H,1,3,5,7-8H2,(H,17,20)
InChIKeyKZPNHLWBHVCVMU-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.28
Rot. Bonds3

About N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 25162796) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID25162796
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC NameN-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC(C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C13H15F3N2O2S/c14-13(15,16)9-3-1-5-18(8-9)11(19)7-17-12(20)10-4-2-6-21-10/h2,4,6,9H,1,3,5,7-8H2,(H,17,20)
InChIKeyKZPNHLWBHVCVMU-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide (CID 25162796) is N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCCC(C(F)(F)F)C1)c1cccs1.
What is the InChIKey of N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is KZPNHLWBHVCVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c14-13(15,16)9-3-1-5-18(8-9)11(19)7-17-12(20)10-4-2-6-21-10/h2,4,6,9H,1,3,5,7-8H2,(H,17,20).
What are the key properties of N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 25162796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).